| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5393659 | Computational and Theoretical Chemistry | 2014 | 6 Pages |
Abstract
- Electronic structure of squaraine dyes - fullerene complexes is computed.
- Open-circuit voltage is linearly correlated with charge transfer energies.
- Open-circuit voltage is linearly anti-correlated with lowest excitation energy.
- Non-Marcus regime for charge-pair dissociation at the interface is identified.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Kakali Sen, Rachel Crespo-Otero, Walter Thiel, Mario Barbatti,